ChemSpider 2D Image | 1-[(3-Chloro-4-fluorophenyl)sulfonyl]-4-(3-methyl-4H-1,2,4-triazol-4-yl)piperidine | C14H16ClFN4O2S

1-[(3-Chloro-4-fluorophenyl)sulfonyl]-4-(3-methyl-4H-1,2,4-triazol-4-yl)piperidine

  • Molecular FormulaC14H16ClFN4O2S
  • Average mass358.819 Da
  • Monoisotopic mass358.066650 Da
  • ChemSpider ID44214096

More details:

Validated by Experts, Validated by Users, Non-Validated, Removed by Users

1-[(3-Chlor-4-fluorphenyl)sulfonyl]-4-(3-methyl-4H-1,2,4-triazol-4-yl)piperidin [German] [ACD/IUPAC Name]
1-[(3-Chloro-4-fluorophenyl)sulfonyl]-4-(3-methyl-4H-1,2,4-triazol-4-yl)piperidine [ACD/IUPAC Name]
1-[(3-Chloro-4-fluorophényl)sulfonyl]-4-(3-méthyl-4H-1,2,4-triazol-4-yl)pipéridine [French] [ACD/IUPAC Name]
Piperidine, 1-[(3-chloro-4-fluorophenyl)sulfonyl]-4-(3-methyl-4H-1,2,4-triazol-4-yl)- [ACD/Index Name]

Predicted data is generated using the ACD/Labs Percepta Platform - PhysChem Module, version: 14.00

Density: 1.5±0.1 g/cm3
Boiling Point: 545.3±60.0 °C at 760 mmHg
Vapour Pressure: 0.0±1.5 mmHg at 25°C
Enthalpy of Vaporization: 82.4±3.0 kJ/mol
Flash Point: 283.6±32.9 °C
Index of Refraction: 1.667
Molar Refractivity: 87.5±0.5 cm3
#H bond acceptors: 6
#H bond donors: 0
#Freely Rotating Bonds: 3
#Rule of 5 Violations: 0
ACD/LogP: 2.56
ACD/LogD (pH 5.5): 2.71
ACD/BCF (pH 5.5): 67.14
ACD/KOC (pH 5.5): 705.02
ACD/LogD (pH 7.4): 2.71
ACD/BCF (pH 7.4): 67.75
ACD/KOC (pH 7.4): 711.49
Polar Surface Area: 76 Å2
Polarizability: 34.7±0.5 10-24cm3
Surface Tension: 55.2±7.0 dyne/cm
Molar Volume: 235.1±7.0 cm3

Click to predict properties on the Chemicalize site


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